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feat(protein): add 3D shift references and cross-spectrum checks - #173

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nmrtist merged 1 commit into
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feat/protein-shift-references
Nov 5, 2026
Merged

nmrtist merged 1 commit into
mainfrom
feat/protein-shift-references

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@nmrtist

@nmrtist nmrtist commented Nov 5, 2026

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Summary

Add traceable chemical-shift references so 3D spectra and assigned peaks use consistent corrected coordinates across processing, export and project persistence.

  • Record absolute acquisition-axis offsets, reference sources and manual confirmation.
  • Preserve peak IDs and assignments through reference edits, phase processing and Undo/Redo; update viewports and invalidate affected cursor readings.
  • Compare confirmed single-atom observations within the same sample conditions using indexed matching that preserves every observation pair.
  • Identify reference draft targets when switching spectra, add interaction and persistence regressions, and update both language guides.

Validation

  • cargo pr-check — passed in 145 seconds, including reference Undo/Redo, project roundtrips, observation matching and spectrum-switch interaction tests. Ran with the Windows permissions required by ACL and discovery-lock tests.
  • npm run build in docs/ — passed, generating 123 pages.
  • git diff --cached --check — passed.

UI display logic

  • Reference controls are panel-local widget interactions, exempt from command catalog registration.
  • Draft target differences and stale-state errors provide explicit guidance.
  • No layout changes from background events; panels are never auto-closed.
  • Docs updated in docs/ (English and zh-CN) for user-visible behavior.

@nmrtist
nmrtist merged commit 54407ac into main Nov 5, 2026
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@nmrtist
nmrtist deleted the feat/protein-shift-references branch November 5, 2026 14:16
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